(2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide;hydrochloride

C12H25ClN2O2 — CID 164604624

IUPAC(2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide;hydrochloride
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1CCCCC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-9(11(13)12(15)14-2)16-8-10-6-4-3-5-7-10;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H/t9-,11+;/m1./s1
InChIKeyTUUVVWGTWXJWJT-XQKZEKTMSA-N
MW264.80 g/mol
LogP1.47
Rot. Bonds5

About (2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide;hydrochloride

(2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide;hydrochloride (PubChem CID 164604624) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide;hydrochloride
PubChem CID164604624
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Name(2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide;hydrochloride
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1CCCCC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-9(11(13)12(15)14-2)16-8-10-6-4-3-5-7-10;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H/t9-,11+;/m1./s1
InChIKeyTUUVVWGTWXJWJT-XQKZEKTMSA-N
XLogP1.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide;hydrochloride?
The IUPAC name of (2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide;hydrochloride (CID 164604624) is (2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide;hydrochloride.
What is the SMILES notation for (2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide;hydrochloride?
The canonical SMILES for (2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide;hydrochloride is CNC(=O)[C@@H](N)[C@@H](C)OCC1CCCCC1.Cl.
What is the InChIKey of (2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide;hydrochloride?
The InChIKey is TUUVVWGTWXJWJT-XQKZEKTMSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-9(11(13)12(15)14-2)16-8-10-6-4-3-5-7-10;/h9-11H,3-8,13H2,1-2H3,(H,14,15);1H/t9-,11+;/m1./s1.
What are the key properties of (2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide;hydrochloride?
(2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 164604624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).